SCHEMBL31455277

SCHEMBL31455277

Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)ccc1Nc1nc(-c2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 1/20 0.37
USP30 Q70CQ3 7/20 0.36
SLC34A1 Q06495 1/20 0.35
RORC P51449 1/20 0.35
CCNK O75909 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCND3 P30281 1/20 0.35
CDK9 P50750 1/20 0.35
CDK6 Q00534 1/20 0.35
ABCB1 P08183 1/20 0.35
GUCY1A1 Q02108 1/20 0.35
GUCY1B1 Q02153 1/20 0.35
BACE1 P56817 1/20 0.34
HPGDS O60760 2/20 0.34
GPR119 Q8TDV5 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
NAMPT P43490 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31420326 0.88 NAMPT (0.40) PRKCQUSP30RORCHPGDSGPR119
SCHEMBL31455102 0.81 NAMPT (0.45) PRKCQUSP30HPGDSGPR119TP53
SCHEMBL31455378 0.81 HPGDS (0.44) PRKCQUSP30HPGDSGPR119NAMPT
SCHEMBL31455264 0.80 USP30 (0.39) PRKCQUSP30HPGDSGPR119
SCHEMBL31455205 0.80 PRKCQ (0.38) PRKCQUSP30BACE1TP53
SCHEMBL31420375 0.79 NAMPT (0.51) GPR119NAMPT
SCHEMBL31455683 0.79 JAK2 (0.46) SLC34A1
SCHEMBL31455107 0.79 BRD9 (0.41) GAAMAPT
SCHEMBL31455299 0.79 SLC34A1 (0.40) PRKCQUSP30SLC34A1RORCTP53
SCHEMBL31455485 0.78 ALDH1A1 (0.44) USP30RORCMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025059577-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS FOR USE AS AKT1 INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed